(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol

C6H12O6 — CID 134692636

IUPAC(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCOC1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(12-3)11-2-8/h3-10H,1-2H2/t3-,4+,5-,6?/m1/s1
InChIKeyJQKXRHCPVCUQGQ-IANNHFEVSA-N
MW180.16 g/mol
LogP-2.61
Rot. Bonds3

About (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol

(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 134692636) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID134692636
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOCOC1O[C@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(12-3)11-2-8/h3-10H,1-2H2/t3-,4+,5-,6?/m1/s1
InChIKeyJQKXRHCPVCUQGQ-IANNHFEVSA-N
XLogP-2.61
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-2.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol (CID 134692636) is (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol is OCOC1O[C@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is JQKXRHCPVCUQGQ-IANNHFEVSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(12-3)11-2-8/h3-10H,1-2H2/t3-,4+,5-,6?/m1/s1.
What are the key properties of (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol?
(3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 180.16 g/mol, XLogP of -2.61, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-(hydroxymethoxy)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 134692636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).